1-[(3S)-3-methyloxolan-3-yl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea

C13H21N3O2S — CID 97244541

IUPAC1-[(3S)-3-methyloxolan-3-yl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
SMILESCC(C)Cc1cnc(NC(=O)N[C@@]2(C)CCOC2)s1
InChIInChI=1S/C13H21N3O2S/c1-9(2)6-10-7-14-12(19-10)15-11(17)16-13(3)4-5-18-8-13/h7,9H,4-6,8H2,1-3H3,(H2,14,15,16,17)/t13-/m0/s1
InChIKeyIULQFPCZBMAVMT-ZDUSSCGKSA-N
MW283.40 g/mol
LogP2.64
Rot. Bonds4

About 1-[(3S)-3-methyloxolan-3-yl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea

1-[(3S)-3-methyloxolan-3-yl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea (PubChem CID 97244541) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-[(3S)-3-methyloxolan-3-yl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-[(3S)-3-methyloxolan-3-yl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
PubChem CID97244541
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name1-[(3S)-3-methyloxolan-3-yl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
SMILESCC(C)Cc1cnc(NC(=O)N[C@@]2(C)CCOC2)s1
InChIInChI=1S/C13H21N3O2S/c1-9(2)6-10-7-14-12(19-10)15-11(17)16-13(3)4-5-18-8-13/h7,9H,4-6,8H2,1-3H3,(H2,14,15,16,17)/t13-/m0/s1
InChIKeyIULQFPCZBMAVMT-ZDUSSCGKSA-N
XLogP2.64
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-methyloxolan-3-yl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-[(3S)-3-methyloxolan-3-yl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea (CID 97244541) is 1-[(3S)-3-methyloxolan-3-yl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-[(3S)-3-methyloxolan-3-yl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-[(3S)-3-methyloxolan-3-yl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea is CC(C)Cc1cnc(NC(=O)N[C@@]2(C)CCOC2)s1.
What is the InChIKey of 1-[(3S)-3-methyloxolan-3-yl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea?
The InChIKey is IULQFPCZBMAVMT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9(2)6-10-7-14-12(19-10)15-11(17)16-13(3)4-5-18-8-13/h7,9H,4-6,8H2,1-3H3,(H2,14,15,16,17)/t13-/m0/s1.
What are the key properties of 1-[(3S)-3-methyloxolan-3-yl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea?
1-[(3S)-3-methyloxolan-3-yl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea has a molecular weight of 283.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-methyloxolan-3-yl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 97244541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).